3,3-dimethyl-4-[2-(4-phenylpyrimidin-2-yl)sulfanylethanoyl]piperazin-2-one

Systemtic Name: 3,3-dimethyl-4-[2-(4-phenylpyrimidin-2-yl)sulfanylethanoyl]piperazin-2-one Openeye Name: 3,3-dimethyl-4-[2-(4-phenylpyrimidin-2-yl)sulfanylacetyl]piperazin-2-one CAS Name: 3,3-dimethyl-4-[1-oxo-2-[(4-phenyl-2-pyrimidinyl)thio]ethyl]-2-piperazinone IUPAC Name: 3,3-dimethyl-4-[2-(4-phenylpyrimidin-2-yl)sulfanylacetyl]piperazin-2-one Traditional Name: 3,3-dimethyl-4-[2-[(4-phenylpyrimidin-2-yl)thio]acetyl]piperazin-2-one Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NCCN1C(=O)CSC2=NC=CC(=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1(C(=O)NCCN1C(=O)CSC2=NC=CC(=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C18H20N4O2S/c1-18(2)16(24)19-10-11-22(18)15(23)12-25-17-20-9-8-14(21-17)13-6-4-3-5-7-13/h3-9H,10-12H2,1-2H3,(H,19,24)